SCHEMBL8788286

SCHEMBL8788286

O=C1C(O)SCN1c1ccnc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.45
AR P10275 1/20 0.43
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
ELANE P08246 3/20 0.36
ACACB O00763 2/20 0.36
CHRM4 P08173 2/20 0.36
HDAC4 P56524 1/20 0.35
PARP1 P09874 1/20 0.35
CHRM2 P08172 1/20 0.35
PIK3CA P42336 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8787648 0.83 CYP17A1 (0.39) CYP17A1
SCHEMBL8789507 0.80 ADRB1 (0.45) ACACB
SCHEMBL8787612 0.77 P2RX7 (0.38) ACACBPARP1
SCHEMBL8787611 0.76 CYP17A1 (0.45) CYP17A1ACACB
SCHEMBL8787630 0.76 ACACB (0.38) CYP17A1ARPDE4BPDE4DELANE
SCHEMBL5827269 0.76 MEN1 (0.43) CYP17A1
SCHEMBL8089734 0.75 HDAC1 (0.41)
SCHEMBL8099417 0.75 ADRB1 (0.36) AR
SCHEMBL8788310 0.74 AR (0.46) CYP17A1ARPDE4BPDE4DELANE
SCHEMBL8098716 0.74 NOTUM (0.45) AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed